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Multi-Scale Computational and Theoretical Methods in Molecular Biophysics

FOCUS · Z06 · ID: 46205

Presentations

  • Dynamic Density Functional Theory of Multicomponent Cellular Membranes

    ORAL

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    Presenters

    • Liam G Stanton

      San Jose State University

    Authors

    • Liam G Stanton

      San Jose State University

    • Tomas Oppelstrup

      Lawrence Livermore National Laboratory

    • Helgi I Ingolfsson

      Lawrence Livermore National Laboratory

    • Michael P Surh

      Lawrence Livermore National Laboratory

    • Felice C Lightstone

      Lawrence Livermore National Laboratory

    • James N Glosli

      Lawrence Livermore National Laboratory

    View abstract →

  • Modeling the cell cycle of the minimal bacterial cell JCVI-syn3A

    ORAL

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    Presenters

    • Zane R Thornburg

      University of Illinois at Urbana-Champaign, University of Illinois Urbana-Champaign, University of Illinois at Urbana-Champaign Department of Chemistry

    Authors

    • Madeline L Stover

      University of Illinois at Urbana-Champai

    • Zane R Thornburg

      University of Illinois at Urbana-Champaign, University of Illinois Urbana-Champaign, University of Illinois at Urbana-Champaign Department of Chemistry

    • David M Bianchi

      University of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champaign Department of Chemistry

    • Troy A Brier

      Univeristy of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champaign Department of Chemistry

    • Benjamin R Gilbert

      University of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champaign Department of Chemistry

    • James Saenz

      Technical University in Dresden, Technische Universitat Dresden

    • Clyde A Hutchison III

      J. Craig Venter Institute

    • John I Glass

      J. Craig Venter Institute

    • Zaida (Zan) Luthey-Schulten

      University of Illinois at Urbana-Champaign, University of Illinois Urbana-Champaign, University of Illinois at Urbana-Champaign Department of Chemistry

    View abstract →

  • Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations

    ORAL

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    Publication: In preparation:<br>"Data-driven discovery of cardiolipin-selective smallmolecules by computational active learning"<br>Bernadette Mohr, Kirill Shmilovich, Isabel Kleinwächter, Dirk Schneider, Andrew L.Ferguson, and Tristan Bereau<br><br>In preparation:<br>"A novel cardiolipin-binder isolated via data-driven and in vitro screening"<br>Isabel Kleinwächter, Bernadette Mohr, Aljoscha Joppe, Nadja Hellmann, Tristan Bereau, Heinz Osiewacz, and Dirk Schneider

    Presenters

    • Bernadette Mohr

      University of Amsterdam

    Authors

    • Bernadette Mohr

      University of Amsterdam

    • Kirill Shmilovich

      University of Chicago

    • Isabel S Kleinwächter

      Johannes Gutenberg University Mainz

    • Dirk Schneider

      Johannes Gutenberg University of Mainz

    • Andrew L Ferguson

      University of Chicago

    • Tristan Bereau

      University of Amsterdam, Max Planck Institute for Polymer Research Mainz

    View abstract →